[2-(6-aminopurin-9-yl)ethoxymethyl-(2-propan-2-yloxyethanoyloxy)phosphoryl] 2-propan-2-yloxyethanoate

Systemtic Name: [2-(6-aminopurin-9-yl)ethoxymethyl-(2-propan-2-yloxyethanoyloxy)phosphoryl] 2-propan-2-yloxyethanoate Openeye Name: [2-(6-aminopurin-9-yl)ethoxymethyl-(2-isopropoxyacetyl)oxy-phosphoryl] 2-isopropoxyacetate CAS Name: 2-propan-2-yloxyacetic acid [2-(6-aminopurin-9-yl)ethoxymethyl-(1-oxo-2-propan-2-yloxyethoxy)phosphoryl] ester IUPAC Name: [2-(6-aminopurin-9-yl)ethoxymethyl-(2-propan-2-yloxyacetyl)oxyphosphoryl] 2-propan-2-yloxyacetate Traditional Name: 2-isopropoxyacetic acid [2-adenin-9-ylethoxymethyl-(2-isopropoxyacetyl)oxy-phosphoryl] ester Formula: C18H28N5O8P MolecularWeight: 473.417381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC(=O)OP(=O)(COCCN1C=NC2=C1N=CN=C2N)OC(=O)COC(C)C

Isomeric SMILES

CC(C)OCC(=O)OP(=O)(COCCN1C=NC2=C1N=CN=C2N)OC(=O)COC(C)C

InChI

InChI=1S/C18H28N5O8P/c1-12(2)28-7-14(24)30-32(26,31-15(25)8-29-13(3)4)11-27-6-5-23-10-22-16-17(19)20-9-21-18(16)23/h9-10,12-13H,5-8,11H2,1-4H3,(H2,19,20,21)